S-sec-Butyl 3-methylbut-2-enethioate
TL;DR: S-sec-Butyl 3-methylbut-2-enethioate (CAS 34322-09-3) is a chemical compound with molecular formula C9H16OS and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butan-2-yl 3-methylbut-2-enethioate
Also Known As: sec-Butyl S-senecthioate, S-sec-Butyl 3-methylbut-2-enethioate, S-sec-Butyl 3-methyl-2-butenethioate, S-butan-2-yl 3-methylbut-2-enethioate, sec-Butyl 3-methyl-2-butenethioate
| Molecular Formula | C9H16OS |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.0922 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 34322-09-3 |
|---|---|
| SMILES | CCC(C)SC(=O)C=C(C)C |
| InChIKey | GGGWOXLORXHXFZ-UHFFFAOYSA-N |
Product Overview
S-sec-Butyl 3-methylbut-2-enethioate (CAS 34322-09-3), with molecular formula C9H16OS and molecular weight 172.09 g/mol. IUPAC: S-butan-2-yl 3-methylbut-2-enethioate.
Chemical Property Profile of S-sec-Butyl 3-methylbut-2-enethioate
Property Insights of S-sec-Butyl 3-methylbut-2-enethioate
The XLogP value of 3.4 indicates that S-sec-Butyl 3-methylbut-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-sec-Butyl 3-methylbut-2-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-sec-Butyl 3-methylbut-2-enethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-sec-Butyl 3-methylbut-2-enethioate?
The CAS number of S-sec-Butyl 3-methylbut-2-enethioate is 34322-09-3.
What is the molecular formula of S-sec-Butyl 3-methylbut-2-enethioate?
The molecular formula of S-sec-Butyl 3-methylbut-2-enethioate is C9H16OS.
What is the molecular weight of S-sec-Butyl 3-methylbut-2-enethioate?
The molecular weight of S-sec-Butyl 3-methylbut-2-enethioate is 172.09 g/mol.
Where can I buy S-sec-Butyl 3-methylbut-2-enethioate?
You can request a quote for S-sec-Butyl 3-methylbut-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-sec-Butyl 3-methylbut-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-sec-Butyl 3-methylbut-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.